4-chloro-N-(1,1-dioxothiolan-3-yl)-N-methyl-1H-indole-2-carboxamide

C14H15ClN2O3S — CID 110852900

IUPAC4-chloro-N-(1,1-dioxothiolan-3-yl)-N-methyl-1H-indole-2-carboxamide
SMILESCN(C(=O)c1cc2c(Cl)cccc2[nH]1)C1CCS(=O)(=O)C1
InChIInChI=1S/C14H15ClN2O3S/c1-17(9-5-6-21(19,20)8-9)14(18)13-7-10-11(15)3-2-4-12(10)16-13/h2-4,7,9,16H,5-6,8H2,1H3
InChIKeyFWVLFDGVJBFSKI-UHFFFAOYSA-N
MW326.81 g/mol
LogP2.08
Rot. Bonds2

About 4-chloro-N-(1,1-dioxothiolan-3-yl)-N-methyl-1H-indole-2-carboxamide

4-chloro-N-(1,1-dioxothiolan-3-yl)-N-methyl-1H-indole-2-carboxamide (PubChem CID 110852900) has the molecular formula C14H15ClN2O3S and a molecular weight of 326.81 g/mol. Its IUPAC name is 4-chloro-N-(1,1-dioxothiolan-3-yl)-N-methyl-1H-indole-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(1,1-dioxothiolan-3-yl)-N-methyl-1H-indole-2-carboxamide
PubChem CID110852900
Molecular FormulaC14H15ClN2O3S
Molecular Weight326.81 g/mol
Exact Mass326.05
IUPAC Name4-chloro-N-(1,1-dioxothiolan-3-yl)-N-methyl-1H-indole-2-carboxamide
SMILESCN(C(=O)c1cc2c(Cl)cccc2[nH]1)C1CCS(=O)(=O)C1
InChIInChI=1S/C14H15ClN2O3S/c1-17(9-5-6-21(19,20)8-9)14(18)13-7-10-11(15)3-2-4-12(10)16-13/h2-4,7,9,16H,5-6,8H2,1H3
InChIKeyFWVLFDGVJBFSKI-UHFFFAOYSA-N
XLogP2.08
TPSA70.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.81
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-chloro-N-(1,1-dioxothiolan-3-yl)-N-methyl-1H-indole-2-carboxamide
CID 110852912
3,5-dichloro-N-(1,1-dioxothiolan-3-yl)-4-methoxy-N-methylbenzamide
CID 24679446
N-(1,1-dioxothiolan-3-yl)-N-methyl-6H-thieno[2,3-b]pyrrole-5-carboxamide
CID 42941910
N-(1,1-dioxothiolan-3-yl)-2,6-dimethoxy-N-methylbenzamide
CID 110755780
1-N-[(3R)-1,1-dioxothiolan-3-yl]-4-N-[(3S)-1,1-dioxothiolan-3-yl]-1-N,4-N-dimethylbenzene-1,4-dicarboxamide
CID 27279993
N-(2,6-dichlorophenyl)-N'-(1,1-dioxothiolan-3-yl)-N'-methyloxamide
CID 108527105
3-amino-2-chloro-N-(1,1-dioxothiolan-3-yl)-N-methylbenzamide
CID 112575061
3-bromo-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methylbenzamide
CID 7259724
N-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 25397465
2,6-dichloro-N-(1,1-dioxothiolan-3-yl)-N-methylpyridine-4-carboxamide
CID 43410879
2-chloro-N-(1,1-dioxothiolan-3-yl)-N-methylpyridine-3-carboxamide
CID 4605115
3,6-dichloro-N-(1,1-dioxothiolan-3-yl)-N-methylpyridine-2-carboxamide
CID 43410881

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(1,1-dioxothiolan-3-yl)-N-methyl-1H-indole-2-carboxamide?
The IUPAC name of 4-chloro-N-(1,1-dioxothiolan-3-yl)-N-methyl-1H-indole-2-carboxamide (CID 110852900) is 4-chloro-N-(1,1-dioxothiolan-3-yl)-N-methyl-1H-indole-2-carboxamide.
What is the SMILES notation for 4-chloro-N-(1,1-dioxothiolan-3-yl)-N-methyl-1H-indole-2-carboxamide?
The canonical SMILES for 4-chloro-N-(1,1-dioxothiolan-3-yl)-N-methyl-1H-indole-2-carboxamide is CN(C(=O)c1cc2c(Cl)cccc2[nH]1)C1CCS(=O)(=O)C1.
What is the InChIKey of 4-chloro-N-(1,1-dioxothiolan-3-yl)-N-methyl-1H-indole-2-carboxamide?
The InChIKey is FWVLFDGVJBFSKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O3S/c1-17(9-5-6-21(19,20)8-9)14(18)13-7-10-11(15)3-2-4-12(10)16-13/h2-4,7,9,16H,5-6,8H2,1H3.
What are the key properties of 4-chloro-N-(1,1-dioxothiolan-3-yl)-N-methyl-1H-indole-2-carboxamide?
4-chloro-N-(1,1-dioxothiolan-3-yl)-N-methyl-1H-indole-2-carboxamide has a molecular weight of 326.81 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(1,1-dioxothiolan-3-yl)-N-methyl-1H-indole-2-carboxamide is sourced from PubChem (CID 110852900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).